[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate

C20H23NO4 — CID 24843340

IUPAC[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO4/c22-18(14-25-20(23)21-17-8-2-1-3-9-17)13-24-19-11-10-15-6-4-5-7-16(15)12-19/h1-3,8-12,18,22H,4-7,13-14H2,(H,21,23)
InChIKeySFJQHBBWJLSMHP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.55
Rot. Bonds6

About [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate

[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate (PubChem CID 24843340) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
PubChem CID24843340
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(O)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23NO4/c22-18(14-25-20(23)21-17-8-2-1-3-9-17)13-24-19-11-10-15-6-4-5-7-16(15)12-19/h1-3,8-12,18,22H,4-7,13-14H2,(H,21,23)
InChIKeySFJQHBBWJLSMHP-UHFFFAOYSA-N
XLogP3.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(phenylcarbamoyloxy)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate
CID 24843342
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
N-(1-phenoxypropan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133184211
6-(2-hydroxy-3-phenoxypropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 109415774
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
ethyl 2-[[(6S)-6-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate;hydrochloride
CID 70131486
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 6945119
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 1094983
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
1-(4-benzylpiperazin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;dihydrochloride
CID 2919190

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The IUPAC name of [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate (CID 24843340) is [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate.
What is the SMILES notation for [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The canonical SMILES for [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate is O=C(Nc1ccccc1)OCC(O)COc1ccc2c(c1)CCCC2.
What is the InChIKey of [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
The InChIKey is SFJQHBBWJLSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-18(14-25-20(23)21-17-8-2-1-3-9-17)13-24-19-11-10-15-6-4-5-7-16(15)12-19/h1-3,8-12,18,22H,4-7,13-14H2,(H,21,23).
What are the key properties of [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate?
[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate has a molecular weight of 341.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] N-phenylcarbamate is sourced from PubChem (CID 24843340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).